Isopropanol → HCID 87122311, compound
Reaction equation
[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][CH:36]([OH:37])[CH3:38].[NH2:1][c:2]1[n:3][c:4]([Cl:12])[c:5]([NH:9][CH:10]=[O:11])[c:6]([Cl:8])[n:7]1.[O:13]1[CH2:14][CH:15]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][c:24]([CH2:26][NH2:27])[n:25]2)[CH2:16][CH2:17]1>>[NH2:1][c:2]1[n:3][c:4]([Cl:12])[c:5]([NH:9][CH:10]=[O:11])[c:6]([NH:27][CH2:26][c:24]2[cH:23][cH:22][cH:21][c:20]([CH2:19][O:18][CH:15]3[CH2:14][O:13][CH2:17][CH2:16]3)[n:25]2)[n:7]1Participants
5
Sources & evidence
- ORD record
- ord-5edb3f3e4a994c90973fec591b887de2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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